K405-1194 Screening compound: 1-(4-methoxyphenyl)-4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine

K405-1194 Screening compound: 1-(4-methoxyphenyl)-4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine
K405-1194 Screening compound: 1-(4-methoxyphenyl)-4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-1194
1-(4-methoxyphenyl)-4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K405-1194

Molecular Formula

C30H26F3N5O (C30 H26 F3 N5 O)

Compound Name

1-(4-methoxyphenyl)-4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine

IUPAC name

1-(4-methoxyphenyl)-4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[23-d]pyrimidin-4-yl}piperazine

SMILES

COc(cc1)ccc1N(CC1)CCN1c1c(c(-c2ccccc2)cn2-c3cccc(C(F)(F)F)c3)c2ncn1

InChI

InChI=1S/C30H26F3N5O/c1-39-25-12-10-23(11-13-25)36-14-16-37(17-15-36)28-27-26(21-6-3-2-4-7-21)19-38(29(27)35-20-34-28)24-9-5-8-22(18-24)30(31,32)33/h2-13,18-20H,14-17H2,1H3

InChI Key

SVYZBUPQXBFNPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04451172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.216

Distribution Coefficient, logD

6.804

Water Solubility, LogSw

-6.20

Polar Surface Area

37.016

Acid Dissociation Constant (pKa)

22.15

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K405-1194 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K405-1194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-1194?
Check Price and Availability of K405-1194, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K405-1194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-1194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-1194
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K405-1194 available by request